4-tert-butyl-2-naphthalen-2-yl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline

C35H35N — CID 155120070

IUPAC4-tert-butyl-2-naphthalen-2-yl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline
SMILESCC(C)(C)c1ccc(Nc2ccc(C(C)(C)c3ccccc3)cc2)c(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C35H35N/c1-34(2,3)30-19-22-33(32(24-30)27-16-15-25-11-9-10-12-26(25)23-27)36-31-20-17-29(18-21-31)35(4,5)28-13-7-6-8-14-28/h6-24,36H,1-5H3
InChIKeyRRXODJXPSIGICH-UHFFFAOYSA-N
MW469.67 g/mol
LogP9.87
Rot. Bonds5

About 4-tert-butyl-2-naphthalen-2-yl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline

4-tert-butyl-2-naphthalen-2-yl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline (PubChem CID 155120070) has the molecular formula C35H35N and a molecular weight of 469.67 g/mol. Its IUPAC name is 4-tert-butyl-2-naphthalen-2-yl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline.

Molecular Properties

Compound Name4-tert-butyl-2-naphthalen-2-yl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline
PubChem CID155120070
Molecular FormulaC35H35N
Molecular Weight469.67 g/mol
Exact Mass469.28
IUPAC Name4-tert-butyl-2-naphthalen-2-yl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline
SMILESCC(C)(C)c1ccc(Nc2ccc(C(C)(C)c3ccccc3)cc2)c(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C35H35N/c1-34(2,3)30-19-22-33(32(24-30)27-16-15-25-11-9-10-12-26(25)23-27)36-31-20-17-29(18-21-31)35(4,5)28-13-7-6-8-14-28/h6-24,36H,1-5H3
InChIKeyRRXODJXPSIGICH-UHFFFAOYSA-N
XLogP9.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.67
LogP ≤ 59.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-naphthalen-2-yl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline?
The IUPAC name of 4-tert-butyl-2-naphthalen-2-yl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline (CID 155120070) is 4-tert-butyl-2-naphthalen-2-yl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline.
What is the SMILES notation for 4-tert-butyl-2-naphthalen-2-yl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline?
The canonical SMILES for 4-tert-butyl-2-naphthalen-2-yl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline is CC(C)(C)c1ccc(Nc2ccc(C(C)(C)c3ccccc3)cc2)c(-c2ccc3ccccc3c2)c1.
What is the InChIKey of 4-tert-butyl-2-naphthalen-2-yl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline?
The InChIKey is RRXODJXPSIGICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35N/c1-34(2,3)30-19-22-33(32(24-30)27-16-15-25-11-9-10-12-26(25)23-27)36-31-20-17-29(18-21-31)35(4,5)28-13-7-6-8-14-28/h6-24,36H,1-5H3.
What are the key properties of 4-tert-butyl-2-naphthalen-2-yl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline?
4-tert-butyl-2-naphthalen-2-yl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline has a molecular weight of 469.67 g/mol, XLogP of 9.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-naphthalen-2-yl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline is sourced from PubChem (CID 155120070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).